N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide

C23H29N3O5S — CID 55849954

IUPACN,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1C
InChIInChI=1S/C23H29N3O5S/c1-4-26(5-2)32(30,31)21-16-18(11-10-17(21)3)22(28)24-12-14-25(15-13-24)23(29)19-8-6-7-9-20(19)27/h6-11,16,27H,4-5,12-15H2,1-3H3
InChIKeyVYYHINXSVLTIIL-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.33
Rot. Bonds6

About N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide

N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide (PubChem CID 55849954) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
PubChem CID55849954
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1C
InChIInChI=1S/C23H29N3O5S/c1-4-26(5-2)32(30,31)21-16-18(11-10-17(21)3)22(28)24-12-14-25(15-13-24)23(29)19-8-6-7-9-20(19)27/h6-11,16,27H,4-5,12-15H2,1-3H3
InChIKeyVYYHINXSVLTIIL-UHFFFAOYSA-N
XLogP2.33
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 119520286
N,N-diethyl-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 33232971
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-diethyl-2-methylbenzenesulfonamide;hydrochloride
CID 119412837
N-ethyl-2-methyl-N-phenyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30738697
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
N,N-diethyl-2-methyl-5-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)benzenesulfonamide
CID 75440741
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide (CID 55849954) is N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccccc3O)CC2)ccc1C.
What is the InChIKey of N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide?
The InChIKey is VYYHINXSVLTIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-4-26(5-2)32(30,31)21-16-18(11-10-17(21)3)22(28)24-12-14-25(15-13-24)23(29)19-8-6-7-9-20(19)27/h6-11,16,27H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide?
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 55849954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).